CID 3074038

154663-22-6

Structural Information

Molecular Formula
C19H27N5O4S
SMILES
CC1CN(CCN1C2=NN=C(S2)C3=CC(=C(C(=C3)OC)OC)OC)CCC(=O)N
InChI
InChI=1S/C19H27N5O4S/c1-12-11-23(6-5-16(20)25)7-8-24(12)19-22-21-18(29-19)13-9-14(26-2)17(28-4)15(10-13)27-3/h9-10,12H,5-8,11H2,1-4H3,(H2,20,25)
InChIKey
FJCDZCIJDTXIGL-UHFFFAOYSA-N
Compound name
3-[3-methyl-4-[5-(3,4,5-trimethoxyphenyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

421.17838 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.18566 200.7
[M+Na]+ 444.16760 210.6
[M+NH4]+ 439.21220 204.7
[M+K]+ 460.14154 206.1
[M-H]- 420.17110 202.8
[M+Na-2H]- 442.15305 204.0
[M]+ 421.17783 202.7
[M]- 421.17893 202.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.